Fig. 2.

Predicted binding modes for LAT-1 ligands. Predicted binding modes of the known substrate tryptophan (green lines) and four ligands discovered in the docking screen. Residues making polar interactions with the ligand are illustrated with sticks; carbon atoms are colored in white, nitrogen atoms in blue, and oxygen atoms in red; hydrogen bonds are represented by dotted gray lines. The predicted pose of a known LAT-1 ligand, tryptophan, is shown with green lines. The compounds depicted are 3-Iodo-L-tyrosine (A), 3,5-diiodo-L-tyrosine (B), fenclonine (C), and acivicin (D). Halogen atoms in the discovered ligands are colored in purple (iodine) and green (chlorine).